3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid

C13H24N2O3 — CID 83055352

IUPAC3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCCCC1CCCCN1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-6-11-7-4-5-9-15(11)13(18)14(2)10-8-12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyYMVAWFAIYKSMCV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.17
Rot. Bonds5

About 3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid

3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 83055352) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID83055352
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCCCC1CCCCN1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-6-11-7-4-5-9-15(11)13(18)14(2)10-8-12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyYMVAWFAIYKSMCV-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83056051
2-[propyl-(2-propylpiperidine-1-carbonyl)amino]acetic acid
CID 83055974
6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
CID 83052295
3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62218106
3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 83055756
2-bromo-1-(2-propylpiperidin-1-yl)ethanone
CID 83053246
4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid
CID 83055439
3-[1-[1-cyanopropan-2-yl(methyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 63228578
2-[1-[2-methoxyethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61428394
3-(ethylamino)-2-methyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83052878
3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62212214
2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 83053442

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid (CID 83055352) is 3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid is CCCC1CCCCN1C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is YMVAWFAIYKSMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-6-11-7-4-5-9-15(11)13(18)14(2)10-8-12(16)17/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid?
3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 83055352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).